1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine

C18H21FN2S — CID 144838153

IUPAC1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine
SMILESCc1c(F)cccc1CSc1c(C2CC2)cccc1N(C)N
InChIInChI=1S/C18H21FN2S/c1-12-14(5-3-7-16(12)19)11-22-18-15(13-9-10-13)6-4-8-17(18)21(2)20/h3-8,13H,9-11,20H2,1-2H3
InChIKeyBZEREVUIXYUYHS-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.61
Rot. Bonds5

About 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine

1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine (PubChem CID 144838153) has the molecular formula C18H21FN2S and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine
PubChem CID144838153
Molecular FormulaC18H21FN2S
Molecular Weight316.45 g/mol
Exact Mass316.14
IUPAC Name1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine
SMILESCc1c(F)cccc1CSc1c(C2CC2)cccc1N(C)N
InChIInChI=1S/C18H21FN2S/c1-12-14(5-3-7-16(12)19)11-22-18-15(13-9-10-13)6-4-8-17(18)21(2)20/h3-8,13H,9-11,20H2,1-2H3
InChIKeyBZEREVUIXYUYHS-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine (CID 144838153) is 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine is Cc1c(F)cccc1CSc1c(C2CC2)cccc1N(C)N.
What is the InChIKey of 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine?
The InChIKey is BZEREVUIXYUYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2S/c1-12-14(5-3-7-16(12)19)11-22-18-15(13-9-10-13)6-4-8-17(18)21(2)20/h3-8,13H,9-11,20H2,1-2H3.
What are the key properties of 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine?
1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine has a molecular weight of 316.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-2-[(3-fluoro-2-methylphenyl)methylsulfanyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).